LAMMPS (18 Feb 2013)
# Pure Si crystal, structure created by LAMMPS, qeq off

units		metal
atom_style	charge
dimension       3
boundary        p p p

lattice  	diamond 5.43
Lattice spacing in x,y,z = 5.43 5.43 5.43
region		box block 0 4 0 4 0 4
create_box	1 box
Created orthogonal box = (0 0 0) to (21.72 21.72 21.72)
  1 by 2 by 2 MPI processor grid
create_atoms	1 box
Created 512 atoms
mass		1 29.0

pair_style	comb
pair_coeff	* * ffield.comb Si

neighbor	0.5 bin
neigh_modify	every 1 delay 1 check yes

fix		1 all nve
timestep        0.00020

thermo_style	custom step temp etotal pe evdwl ecoul press vol lx ly lz xz
thermo_modify	norm yes
velocity	all create 10.1 2398378
thermo	  	1

#dump		1 all cfg 10 *.cfg id type xs ys zs q vx vy vz fx fy fz
#dump_modify	1 append yes element Si

#dump		1 all image 10 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
#dump_modify	1 pad 2 element Si

run  		10
Memory usage per processor = 3.2561 Mbytes
Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz 
       0         10.1   -4.6284152   -4.6297182   -4.6297182            0    1140.7851    10246.592        21.72        21.72        21.72            0 
       1    10.097841   -4.6284152   -4.6297179   -4.6297179            0    1140.8134    10246.592        21.72        21.72        21.72            0 
       2    10.091367   -4.6284152   -4.6297171   -4.6297171            0    1140.8983    10246.592        21.72        21.72        21.72            0 
       3    10.080586   -4.6284152   -4.6297157   -4.6297157            0    1141.0397    10246.592        21.72        21.72        21.72            0 
       4    10.065511   -4.6284152   -4.6297137   -4.6297137            0    1141.2373    10246.592        21.72        21.72        21.72            0 
       5    10.046161   -4.6284152   -4.6297112   -4.6297112            0    1141.4909    10246.592        21.72        21.72        21.72            0 
       6     10.02256   -4.6284152   -4.6297082   -4.6297082            0    1141.8001    10246.592        21.72        21.72        21.72            0 
       7    9.9947353   -4.6284152   -4.6297046   -4.6297046            0    1142.1645    10246.592        21.72        21.72        21.72            0 
       8    9.9627224   -4.6284152   -4.6297005   -4.6297005            0    1142.5835    10246.592        21.72        21.72        21.72            0 
       9    9.9265602   -4.6284152   -4.6296958   -4.6296958            0    1143.0565    10246.592        21.72        21.72        21.72            0 
      10    9.8862927   -4.6284152   -4.6296906   -4.6296906            0    1143.5829    10246.592        21.72        21.72        21.72            0 
Loop time of 0.0362901 on 4 procs for 10 steps with 512 atoms

Pair  time (%) = 0.0342847 (94.474)
Neigh time (%) = 0 (0)
Comm  time (%) = 0.00158697 (4.37302)
Outpt time (%) = 0.000268877 (0.740909)
Other time (%) = 0.000149548 (0.41209)

Nlocal:    128 ave 128 max 128 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    3073 ave 3073 max 3073 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  53248 ave 53248 max 53248 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 212992
Ave neighs/atom = 416
Neighbor list builds = 0
Dangerous builds = 0
